1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione

C16H28N2O2 — CID 64973457

IUPAC1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1CCC(N2C(=O)C(C(C)C)NC(=O)C2C)C1C
InChIInChI=1S/C16H28N2O2/c1-6-12-7-8-13(10(12)4)18-11(5)15(19)17-14(9(2)3)16(18)20/h9-14H,6-8H2,1-5H3,(H,17,19)
InChIKeyYKUFOSOQWADURZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.18
Rot. Bonds3

About 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione

1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64973457) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64973457
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1CCC(N2C(=O)C(C(C)C)NC(=O)C2C)C1C
InChIInChI=1S/C16H28N2O2/c1-6-12-7-8-13(10(12)4)18-11(5)15(19)17-14(9(2)3)16(18)20/h9-14H,6-8H2,1-5H3,(H,17,19)
InChIKeyYKUFOSOQWADURZ-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

5-butan-2-yl-2-ethyl-3-(3-ethyl-2-methylcyclopentyl)imidazolidin-4-one
CID 83259292
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
1-(3-ethyl-2-methylcyclopentyl)-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64973468
5-butyl-3-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylimidazolidin-4-one
CID 83266918
3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione
CID 64973362
6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873851
6-methyl-1-(3-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960355
3-(3-ethyl-2-methylcyclopentyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83258722
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 82934843
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (CID 64973457) is 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is CCC1CCC(N2C(=O)C(C(C)C)NC(=O)C2C)C1C.
What is the InChIKey of 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is YKUFOSOQWADURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-12-7-8-13(10(12)4)18-11(5)15(19)17-14(9(2)3)16(18)20/h9-14H,6-8H2,1-5H3,(H,17,19).
What are the key properties of 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64973457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).